data_51112 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51112 _Entry.Title ; The 1H, 15N, and 13C resonance assignments of the low-complexity domain from the oncogenic fusion protein EWS-FLI1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-29 _Entry.Accession_date 2021-09-29 _Entry.Last_release_date 2021-09-29 _Entry.Original_release_date 2021-09-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Courtney Johnson . N. . 0000-0003-4008-3480 51112 2 Xiaoping Xu . . . . 51112 3 Stephen Holloway . P. . . 51112 4 David Libich . S. . 0000-0001-6492-2803 51112 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Biochemistry and Structural Biology' . 51112 2 . "Greehey Children's Cancer Research Institute" . 51112 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51112 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 351 51112 '15N chemical shifts' 92 51112 '1H chemical shifts' 92 51112 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-05-26 2021-09-29 update BMRB 'update entry citation' 51112 1 . . 2022-02-18 2021-09-29 original author 'original release' 51112 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51111 'low-complexity domain from the oncogenic fusion protein EWS-FLI1, 1-120' 51112 BMRB 51113 'low-complexity domain from the oncogenic fusion protein EWS-FLI1, 171-264' 51112 BMRB 51114 'low-complexity domain from the oncogenic fusion protein EWS-FLI1, 1-264' 51112 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51112 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34994941 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The 1H, 15N and 13C resonance assignments of the low-complexity domain from the oncogenic fusion protein EWS-FLI1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 67 _Citation.Page_last 73 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Courtney Johnson . N. . . 51112 1 2 Xiaoping Xu . . . . 51112 1 3 Stephen Holloway . P. . . 51112 1 4 David Libich . S. . . 51112 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51112 _Assembly.ID 1 _Assembly.Name 'EWSR1 91-199' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'EWSR1 91-199' 1 $entity_1 . . yes native no no . . . 51112 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51112 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AQGYGTGAYDTTTATVTTTQ ASYAAQSAYGTQPAYPAYGQ QPAATAPTRPQDGNKPTETS QPQSSTGGYNQPSLGYGQSN YSYPQVPGSYPMQPVTAPPS YPPTSYSSTQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 90 ALA . 51112 1 2 91 GLN . 51112 1 3 92 GLY . 51112 1 4 93 TYR . 51112 1 5 94 GLY . 51112 1 6 95 THR . 51112 1 7 96 GLY . 51112 1 8 97 ALA . 51112 1 9 98 TYR . 51112 1 10 99 ASP . 51112 1 11 100 THR . 51112 1 12 101 THR . 51112 1 13 102 THR . 51112 1 14 103 ALA . 51112 1 15 104 THR . 51112 1 16 105 VAL . 51112 1 17 106 THR . 51112 1 18 107 THR . 51112 1 19 108 THR . 51112 1 20 109 GLN . 51112 1 21 110 ALA . 51112 1 22 111 SER . 51112 1 23 112 TYR . 51112 1 24 113 ALA . 51112 1 25 114 ALA . 51112 1 26 115 GLN . 51112 1 27 116 SER . 51112 1 28 117 ALA . 51112 1 29 118 TYR . 51112 1 30 119 GLY . 51112 1 31 120 THR . 51112 1 32 121 GLN . 51112 1 33 122 PRO . 51112 1 34 123 ALA . 51112 1 35 124 TYR . 51112 1 36 125 PRO . 51112 1 37 126 ALA . 51112 1 38 127 TYR . 51112 1 39 128 GLY . 51112 1 40 129 GLN . 51112 1 41 130 GLN . 51112 1 42 131 PRO . 51112 1 43 132 ALA . 51112 1 44 133 ALA . 51112 1 45 134 THR . 51112 1 46 135 ALA . 51112 1 47 136 PRO . 51112 1 48 137 THR . 51112 1 49 138 ARG . 51112 1 50 139 PRO . 51112 1 51 140 GLN . 51112 1 52 141 ASP . 51112 1 53 142 GLY . 51112 1 54 143 ASN . 51112 1 55 144 LYS . 51112 1 56 145 PRO . 51112 1 57 146 THR . 51112 1 58 147 GLU . 51112 1 59 148 THR . 51112 1 60 149 SER . 51112 1 61 150 GLN . 51112 1 62 151 PRO . 51112 1 63 152 GLN . 51112 1 64 153 SER . 51112 1 65 154 SER . 51112 1 66 155 THR . 51112 1 67 156 GLY . 51112 1 68 157 GLY . 51112 1 69 158 TYR . 51112 1 70 159 ASN . 51112 1 71 160 GLN . 51112 1 72 161 PRO . 51112 1 73 162 SER . 51112 1 74 163 LEU . 51112 1 75 164 GLY . 51112 1 76 165 TYR . 51112 1 77 166 GLY . 51112 1 78 167 GLN . 51112 1 79 168 SER . 51112 1 80 169 ASN . 51112 1 81 170 TYR . 51112 1 82 171 SER . 51112 1 83 172 TYR . 51112 1 84 173 PRO . 51112 1 85 174 GLN . 51112 1 86 175 VAL . 51112 1 87 176 PRO . 51112 1 88 177 GLY . 51112 1 89 178 SER . 51112 1 90 179 TYR . 51112 1 91 180 PRO . 51112 1 92 181 MET . 51112 1 93 182 GLN . 51112 1 94 183 PRO . 51112 1 95 184 VAL . 51112 1 96 185 THR . 51112 1 97 186 ALA . 51112 1 98 187 PRO . 51112 1 99 188 PRO . 51112 1 100 189 SER . 51112 1 101 190 TYR . 51112 1 102 191 PRO . 51112 1 103 192 PRO . 51112 1 104 193 THR . 51112 1 105 194 SER . 51112 1 106 195 TYR . 51112 1 107 196 SER . 51112 1 108 197 SER . 51112 1 109 198 THR . 51112 1 110 199 GLN . 51112 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 51112 1 . GLN 2 2 51112 1 . GLY 3 3 51112 1 . TYR 4 4 51112 1 . GLY 5 5 51112 1 . THR 6 6 51112 1 . GLY 7 7 51112 1 . ALA 8 8 51112 1 . TYR 9 9 51112 1 . ASP 10 10 51112 1 . THR 11 11 51112 1 . THR 12 12 51112 1 . THR 13 13 51112 1 . ALA 14 14 51112 1 . THR 15 15 51112 1 . VAL 16 16 51112 1 . THR 17 17 51112 1 . THR 18 18 51112 1 . THR 19 19 51112 1 . GLN 20 20 51112 1 . ALA 21 21 51112 1 . SER 22 22 51112 1 . TYR 23 23 51112 1 . ALA 24 24 51112 1 . ALA 25 25 51112 1 . GLN 26 26 51112 1 . SER 27 27 51112 1 . ALA 28 28 51112 1 . TYR 29 29 51112 1 . GLY 30 30 51112 1 . THR 31 31 51112 1 . GLN 32 32 51112 1 . PRO 33 33 51112 1 . ALA 34 34 51112 1 . TYR 35 35 51112 1 . PRO 36 36 51112 1 . ALA 37 37 51112 1 . TYR 38 38 51112 1 . GLY 39 39 51112 1 . GLN 40 40 51112 1 . GLN 41 41 51112 1 . PRO 42 42 51112 1 . ALA 43 43 51112 1 . ALA 44 44 51112 1 . THR 45 45 51112 1 . ALA 46 46 51112 1 . PRO 47 47 51112 1 . THR 48 48 51112 1 . ARG 49 49 51112 1 . PRO 50 50 51112 1 . GLN 51 51 51112 1 . ASP 52 52 51112 1 . GLY 53 53 51112 1 . ASN 54 54 51112 1 . LYS 55 55 51112 1 . PRO 56 56 51112 1 . THR 57 57 51112 1 . GLU 58 58 51112 1 . THR 59 59 51112 1 . SER 60 60 51112 1 . GLN 61 61 51112 1 . PRO 62 62 51112 1 . GLN 63 63 51112 1 . SER 64 64 51112 1 . SER 65 65 51112 1 . THR 66 66 51112 1 . GLY 67 67 51112 1 . GLY 68 68 51112 1 . TYR 69 69 51112 1 . ASN 70 70 51112 1 . GLN 71 71 51112 1 . PRO 72 72 51112 1 . SER 73 73 51112 1 . LEU 74 74 51112 1 . GLY 75 75 51112 1 . TYR 76 76 51112 1 . GLY 77 77 51112 1 . GLN 78 78 51112 1 . SER 79 79 51112 1 . ASN 80 80 51112 1 . TYR 81 81 51112 1 . SER 82 82 51112 1 . TYR 83 83 51112 1 . PRO 84 84 51112 1 . GLN 85 85 51112 1 . VAL 86 86 51112 1 . PRO 87 87 51112 1 . GLY 88 88 51112 1 . SER 89 89 51112 1 . TYR 90 90 51112 1 . PRO 91 91 51112 1 . MET 92 92 51112 1 . GLN 93 93 51112 1 . PRO 94 94 51112 1 . VAL 95 95 51112 1 . THR 96 96 51112 1 . ALA 97 97 51112 1 . PRO 98 98 51112 1 . PRO 99 99 51112 1 . SER 100 100 51112 1 . TYR 101 101 51112 1 . PRO 102 102 51112 1 . PRO 103 103 51112 1 . THR 104 104 51112 1 . SER 105 105 51112 1 . TYR 106 106 51112 1 . SER 107 107 51112 1 . SER 108 108 51112 1 . THR 109 109 51112 1 . GLN 110 110 51112 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51112 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 51112 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51112 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pAG8H-Sumo . . . 51112 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51112 _Sample.ID 1 _Sample.Name EWSR1_91-199 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM MES pH 5.5, 0.1mM PMSF, 1mM EDTA' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'EWSR1 91-199' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 51112 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 51112 1 3 PMSF 'natural abundance' . . . . . . 0.1 . . mM . . . . 51112 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51112 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51112 _Sample_condition_list.ID 1 _Sample_condition_list.Name EWSR1_91-199 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.2 . pH 51112 1 pressure 1 . atm 51112 1 temperature 298 . K 51112 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51112 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51112 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51112 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51112 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51112 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51112 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51112 _Software.ID 4 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51112 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51112 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance Neo 700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51112 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51112 1 2 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51112 1 3 '3D HNCACO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51112 1 4 '3D HN(CO)CACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51112 1 5 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51112 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51112 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name water _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na protons . . . . ppm 42.928 internal direct 1 . . . . . 51112 1 H 1 water protons . . . . ppm 8.210 internal direct 1 . . . . . 51112 1 N 15 na protons . . . . ppm 118.771 internal direct 1 . . . . . 51112 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51112 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name EWSR1_91-199 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51112 1 2 '3D HNCO' . . . 51112 1 3 '3D HNCACO' . . . 51112 1 4 '3D HN(CO)CACB' . . . 51112 1 5 '3D HNCACB' . . . 51112 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51112 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLN C C 13 175.928 0 . 1 . . 535 . . 91 GLN C . 51112 1 2 . 1 . 1 2 2 GLN CA C 13 56.005 0.007 . 1 . . 542 . . 91 GLN CA . 51112 1 3 . 1 . 1 2 2 GLN CB C 13 29.523 0.012 . 1 . . 543 . . 91 GLN CB . 51112 1 4 . 1 . 1 2 2 GLN CG C 13 33.678 . . 1 . . 590 . . 91 GLN CG . 51112 1 5 . 1 . 1 3 3 GLY H H 1 8.436 0.002 . 1 . . 9 . . 92 GLY H . 51112 1 6 . 1 . 1 3 3 GLY C C 13 173.556 0.007 . 1 . . 297 . . 92 GLY C . 51112 1 7 . 1 . 1 3 3 GLY CA C 13 44.985 0.004 . 1 . . 298 . . 92 GLY CA . 51112 1 8 . 1 . 1 3 3 GLY N N 15 110.573 0.002 . 1 . . 10 . . 92 GLY N . 51112 1 9 . 1 . 1 4 4 TYR H H 1 8.159 0.001 . 1 . . 27 . . 93 TYR H . 51112 1 10 . 1 . 1 4 4 TYR C C 13 176.428 0 . 1 . . 294 . . 93 TYR C . 51112 1 11 . 1 . 1 4 4 TYR CA C 13 58.071 0.031 . 1 . . 295 . . 93 TYR CA . 51112 1 12 . 1 . 1 4 4 TYR CB C 13 38.996 0.041 . 1 . . 296 . . 93 TYR CB . 51112 1 13 . 1 . 1 4 4 TYR N N 15 120.1 0.002 . 1 . . 28 . . 93 TYR N . 51112 1 14 . 1 . 1 5 5 GLY H H 1 8.419 0.002 . 1 . . 71 . . 94 GLY H . 51112 1 15 . 1 . 1 5 5 GLY C C 13 174.38 0.011 . 1 . . 292 . . 94 GLY C . 51112 1 16 . 1 . 1 5 5 GLY CA C 13 45.296 0.003 . 1 . . 293 . . 94 GLY CA . 51112 1 17 . 1 . 1 5 5 GLY N N 15 111.117 0.004 . 1 . . 72 . . 94 GLY N . 51112 1 18 . 1 . 1 6 6 THR H H 1 8.119 0.002 . 1 . . 69 . . 95 THR H . 51112 1 19 . 1 . 1 6 6 THR C C 13 175.327 0.01 . 1 . . 290 . . 95 THR C . 51112 1 20 . 1 . 1 6 6 THR CA C 13 62.047 0.021 . 1 . . 291 . . 95 THR CA . 51112 1 21 . 1 . 1 6 6 THR CB C 13 69.818 0.036 . 1 . . 289 . . 95 THR CB . 51112 1 22 . 1 . 1 6 6 THR CG2 C 13 21.459 . . 1 . . 589 . . 95 THR CG2 . 51112 1 23 . 1 . 1 6 6 THR N N 15 112.924 0.008 . 1 . . 70 . . 95 THR N . 51112 1 24 . 1 . 1 7 7 GLY H H 1 8.466 0.003 . 1 . . 65 . . 96 GLY H . 51112 1 25 . 1 . 1 7 7 GLY C C 13 173.742 0.025 . 1 . . 288 . . 96 GLY C . 51112 1 26 . 1 . 1 7 7 GLY CA C 13 45.268 0.001 . 1 . . 287 . . 96 GLY CA . 51112 1 27 . 1 . 1 7 7 GLY N N 15 111.383 0.014 . 1 . . 66 . . 96 GLY N . 51112 1 28 . 1 . 1 8 8 ALA H H 1 8.044 0.001 . 1 . . 151 . . 97 ALA H . 51112 1 29 . 1 . 1 8 8 ALA C C 13 177.302 0.002 . 1 . . 284 . . 97 ALA C . 51112 1 30 . 1 . 1 8 8 ALA CA C 13 52.528 0.028 . 1 . . 285 . . 97 ALA CA . 51112 1 31 . 1 . 1 8 8 ALA CB C 13 19.276 0.006 . 1 . . 286 . . 97 ALA CB . 51112 1 32 . 1 . 1 8 8 ALA N N 15 123.563 0.003 . 1 . . 152 . . 97 ALA N . 51112 1 33 . 1 . 1 9 9 TYR H H 1 8.085 0.002 . 1 . . 133 . . 98 TYR H . 51112 1 34 . 1 . 1 9 9 TYR C C 13 175.326 0.006 . 1 . . 283 . . 98 TYR C . 51112 1 35 . 1 . 1 9 9 TYR CA C 13 57.524 0.013 . 1 . . 282 . . 98 TYR CA . 51112 1 36 . 1 . 1 9 9 TYR CB C 13 38.706 0.003 . 1 . . 281 . . 98 TYR CB . 51112 1 37 . 1 . 1 9 9 TYR N N 15 118.923 0.007 . 1 . . 134 . . 98 TYR N . 51112 1 38 . 1 . 1 10 10 ASP H H 1 8.182 0.002 . 1 . . 73 . . 99 ASP H . 51112 1 39 . 1 . 1 10 10 ASP C C 13 176.413 0.005 . 1 . . 280 . . 99 ASP C . 51112 1 40 . 1 . 1 10 10 ASP CA C 13 54.135 0.006 . 1 . . 279 . . 99 ASP CA . 51112 1 41 . 1 . 1 10 10 ASP CB C 13 41.244 0.013 . 1 . . 278 . . 99 ASP CB . 51112 1 42 . 1 . 1 10 10 ASP N N 15 122.063 0.008 . 1 . . 74 . . 99 ASP N . 51112 1 43 . 1 . 1 11 11 THR H H 1 8.181 0.002 . 1 . . 197 . . 100 THR H . 51112 1 44 . 1 . 1 11 11 THR C C 13 175.215 0.008 . 1 . . 276 . . 100 THR C . 51112 1 45 . 1 . 1 11 11 THR CA C 13 62.218 0.037 . 1 . . 275 . . 100 THR CA . 51112 1 46 . 1 . 1 11 11 THR CB C 13 69.551 0.08 . 1 . . 277 . . 100 THR CB . 51112 1 47 . 1 . 1 11 11 THR CG2 C 13 21.519 . . 1 . . 588 . . 100 THR CG2 . 51112 1 48 . 1 . 1 11 11 THR N N 15 114.631 0.006 . 1 . . 198 . . 100 THR N . 51112 1 49 . 1 . 1 12 12 THR H H 1 8.312 0.002 . 1 . . 187 . . 101 THR H . 51112 1 50 . 1 . 1 12 12 THR C C 13 175.019 0.002 . 1 . . 274 . . 101 THR C . 51112 1 51 . 1 . 1 12 12 THR CA C 13 62.753 0.004 . 1 . . 273 . . 101 THR CA . 51112 1 52 . 1 . 1 12 12 THR CB C 13 69.711 0.025 . 1 . . 272 . . 101 THR CB . 51112 1 53 . 1 . 1 12 12 THR CG2 C 13 21.535 . . 1 . . 587 . . 101 THR CG2 . 51112 1 54 . 1 . 1 12 12 THR N N 15 116.069 0.002 . 1 . . 188 . . 101 THR N . 51112 1 55 . 1 . 1 13 13 THR H H 1 8.042 0.002 . 1 . . 171 . . 102 THR H . 51112 1 56 . 1 . 1 13 13 THR C C 13 174.253 0.004 . 1 . . 269 . . 102 THR C . 51112 1 57 . 1 . 1 13 13 THR CA C 13 62.089 0.03 . 1 . . 270 . . 102 THR CA . 51112 1 58 . 1 . 1 13 13 THR CB C 13 69.759 0.026 . 1 . . 271 . . 102 THR CB . 51112 1 59 . 1 . 1 13 13 THR CG2 C 13 21.576 . . 1 . . 586 . . 102 THR CG2 . 51112 1 60 . 1 . 1 13 13 THR N N 15 116.068 0.005 . 1 . . 172 . . 102 THR N . 51112 1 61 . 1 . 1 14 14 ALA H H 1 8.215 0.002 . 1 . . 33 . . 103 ALA H . 51112 1 62 . 1 . 1 14 14 ALA C C 13 177.701 0.003 . 1 . . 266 . . 103 ALA C . 51112 1 63 . 1 . 1 14 14 ALA CA C 13 52.645 0.012 . 1 . . 268 . . 103 ALA CA . 51112 1 64 . 1 . 1 14 14 ALA CB C 13 19.356 0.004 . 1 . . 267 . . 103 ALA CB . 51112 1 65 . 1 . 1 14 14 ALA N N 15 126.525 0.059 . 1 . . 34 . . 103 ALA N . 51112 1 66 . 1 . 1 15 15 THR H H 1 8.131 0.002 . 1 . . 25 . . 104 THR H . 51112 1 67 . 1 . 1 15 15 THR C C 13 174.526 0.002 . 1 . . 390 . . 104 THR C . 51112 1 68 . 1 . 1 15 15 THR CA C 13 62.169 0.088 . 1 . . 391 . . 104 THR CA . 51112 1 69 . 1 . 1 15 15 THR CB C 13 69.925 0.003 . 1 . . 389 . . 104 THR CB . 51112 1 70 . 1 . 1 15 15 THR CG2 C 13 21.62 . . 1 . . 585 . . 104 THR CG2 . 51112 1 71 . 1 . 1 15 15 THR N N 15 114.272 0.003 . 1 . . 26 . . 104 THR N . 51112 1 72 . 1 . 1 16 16 VAL H H 1 8.196 0.001 . 1 . . 175 . . 105 VAL H . 51112 1 73 . 1 . 1 16 16 VAL C C 13 176.293 0.008 . 1 . . 407 . . 105 VAL C . 51112 1 74 . 1 . 1 16 16 VAL CA C 13 62.187 0.113 . 1 . . 409 . . 105 VAL CA . 51112 1 75 . 1 . 1 16 16 VAL CB C 13 32.824 0.012 . 1 . . 408 . . 105 VAL CB . 51112 1 76 . 1 . 1 16 16 VAL CG1 C 13 20.472 . . 1 . . 584 . . 105 VAL CG1 . 51112 1 77 . 1 . 1 16 16 VAL N N 15 122.968 0.007 . 1 . . 176 . . 105 VAL N . 51112 1 78 . 1 . 1 17 17 THR H H 1 8.312 0.002 . 1 . . 185 . . 106 THR H . 51112 1 79 . 1 . 1 17 17 THR C C 13 174.754 0.007 . 1 . . 377 . . 106 THR C . 51112 1 80 . 1 . 1 17 17 THR CA C 13 62.022 0.01 . 1 . . 375 . . 106 THR CA . 51112 1 81 . 1 . 1 17 17 THR CB C 13 69.859 0 . 1 . . 376 . . 106 THR CB . 51112 1 82 . 1 . 1 17 17 THR CG2 C 13 21.51 . . 1 . . 583 . . 106 THR CG2 . 51112 1 83 . 1 . 1 17 17 THR N N 15 118.259 0.003 . 1 . . 186 . . 106 THR N . 51112 1 84 . 1 . 1 18 18 THR H H 1 8.191 0.002 . 1 . . 147 . . 107 THR H . 51112 1 85 . 1 . 1 18 18 THR C C 13 174.726 0.068 . 1 . . 410 . . 107 THR C . 51112 1 86 . 1 . 1 18 18 THR CA C 13 62.057 0.024 . 1 . . 481 . . 107 THR CA . 51112 1 87 . 1 . 1 18 18 THR CB C 13 69.79 0.031 . 1 . . 474 . . 107 THR CB . 51112 1 88 . 1 . 1 18 18 THR CG2 C 13 21.511 . . 1 . . 582 . . 107 THR CG2 . 51112 1 89 . 1 . 1 18 18 THR N N 15 116.38 0.042 . 1 . . 148 . . 107 THR N . 51112 1 90 . 1 . 1 19 19 THR H H 1 8.168 0.001 . 1 . . 155 . . 108 THR H . 51112 1 91 . 1 . 1 19 19 THR C C 13 174.642 0.068 . 1 . . 477 . . 108 THR C . 51112 1 92 . 1 . 1 19 19 THR CA C 13 62.148 0.034 . 1 . . 475 . . 108 THR CA . 51112 1 93 . 1 . 1 19 19 THR CB C 13 69.815 0.071 . 1 . . 476 . . 108 THR CB . 51112 1 94 . 1 . 1 19 19 THR CG2 C 13 21.557 . . 1 . . 581 . . 108 THR CG2 . 51112 1 95 . 1 . 1 19 19 THR N N 15 116.356 0.007 . 1 . . 156 . . 108 THR N . 51112 1 96 . 1 . 1 20 20 GLN H H 1 8.36 0.002 . 1 . . 247 . . 109 GLN H . 51112 1 97 . 1 . 1 20 20 GLN C C 13 175.888 0.001 . 1 . . 478 . . 109 GLN C . 51112 1 98 . 1 . 1 20 20 GLN CA C 13 56.099 0.034 . 1 . . 480 . . 109 GLN CA . 51112 1 99 . 1 . 1 20 20 GLN CB C 13 29.231 0.076 . 1 . . 479 . . 109 GLN CB . 51112 1 100 . 1 . 1 20 20 GLN CG C 13 33.757 . . 1 . . 580 . . 109 GLN CG . 51112 1 101 . 1 . 1 20 20 GLN N N 15 122.827 0.013 . 1 . . 248 . . 109 GLN N . 51112 1 102 . 1 . 1 21 21 ALA H H 1 8.329 0.001 . 1 . . 121 . . 110 ALA H . 51112 1 103 . 1 . 1 21 21 ALA C C 13 177.886 0.002 . 1 . . 251 . . 110 ALA C . 51112 1 104 . 1 . 1 21 21 ALA CA C 13 52.859 0.003 . 1 . . 249 . . 110 ALA CA . 51112 1 105 . 1 . 1 21 21 ALA CB C 13 19.126 0.009 . 1 . . 250 . . 110 ALA CB . 51112 1 106 . 1 . 1 21 21 ALA N N 15 125.212 0.006 . 1 . . 122 . . 110 ALA N . 51112 1 107 . 1 . 1 22 22 SER H H 1 8.162 0.003 . 1 . . 11 . . 111 SER H . 51112 1 108 . 1 . 1 22 22 SER C C 13 174.439 0.007 . 1 . . 336 . . 111 SER C . 51112 1 109 . 1 . 1 22 22 SER CA C 13 58.635 0.042 . 1 . . 334 . . 111 SER CA . 51112 1 110 . 1 . 1 22 22 SER CB C 13 63.711 0.023 . 1 . . 335 . . 111 SER CB . 51112 1 111 . 1 . 1 22 22 SER N N 15 114.742 0.01 . 1 . . 12 . . 111 SER N . 51112 1 112 . 1 . 1 23 23 TYR H H 1 8.075 0.001 . 1 . . 81 . . 112 TYR H . 51112 1 113 . 1 . 1 23 23 TYR C C 13 175.797 0.003 . 1 . . 233 . . 112 TYR C . 51112 1 114 . 1 . 1 23 23 TYR CA C 13 58.251 0.016 . 1 . . 234 . . 112 TYR CA . 51112 1 115 . 1 . 1 23 23 TYR CB C 13 38.608 0.013 . 1 . . 232 . . 112 TYR CB . 51112 1 116 . 1 . 1 23 23 TYR N N 15 122.104 0.002 . 1 . . 82 . . 112 TYR N . 51112 1 117 . 1 . 1 24 24 ALA H H 1 8.068 0.001 . 1 . . 91 . . 113 ALA H . 51112 1 118 . 1 . 1 24 24 ALA C C 13 177.388 0.003 . 1 . . 231 . . 113 ALA C . 51112 1 119 . 1 . 1 24 24 ALA CA C 13 52.653 0.041 . 1 . . 393 . . 113 ALA CA . 51112 1 120 . 1 . 1 24 24 ALA CB C 13 19.125 0.052 . 1 . . 230 . . 113 ALA CB . 51112 1 121 . 1 . 1 24 24 ALA N N 15 125.175 0.004 . 1 . . 92 . . 113 ALA N . 51112 1 122 . 1 . 1 25 25 ALA H H 1 8.074 0.002 . 1 . . 193 . . 114 ALA H . 51112 1 123 . 1 . 1 25 25 ALA C C 13 177.979 0.002 . 1 . . 447 . . 114 ALA C . 51112 1 124 . 1 . 1 25 25 ALA CA C 13 52.74 0.035 . 1 . . 446 . . 114 ALA CA . 51112 1 125 . 1 . 1 25 25 ALA CB C 13 19.046 0.012 . 1 . . 445 . . 114 ALA CB . 51112 1 126 . 1 . 1 25 25 ALA N N 15 122.832 0.01 . 1 . . 194 . . 114 ALA N . 51112 1 127 . 1 . 1 26 26 GLN H H 1 8.22 0.001 . 1 . . 161 . . 115 GLN H . 51112 1 128 . 1 . 1 26 26 GLN C C 13 176.226 0.01 . 1 . . 262 . . 115 GLN C . 51112 1 129 . 1 . 1 26 26 GLN CA C 13 56.035 0.028 . 1 . . 260 . . 115 GLN CA . 51112 1 130 . 1 . 1 26 26 GLN CB C 13 29.294 0.01 . 1 . . 261 . . 115 GLN CB . 51112 1 131 . 1 . 1 26 26 GLN CG C 13 33.811 . . 1 . . 579 . . 115 GLN CG . 51112 1 132 . 1 . 1 26 26 GLN N N 15 118.816 0.004 . 1 . . 162 . . 115 GLN N . 51112 1 133 . 1 . 1 27 27 SER H H 1 8.203 0.002 . 1 . . 205 . . 116 SER H . 51112 1 134 . 1 . 1 27 27 SER C C 13 174.323 0.008 . 1 . . 258 . . 116 SER C . 51112 1 135 . 1 . 1 27 27 SER CA C 13 58.53 0.021 . 1 . . 259 . . 116 SER CA . 51112 1 136 . 1 . 1 27 27 SER CB C 13 63.839 0.025 . 1 . . 411 . . 116 SER CB . 51112 1 137 . 1 . 1 27 27 SER N N 15 116.417 0.005 . 1 . . 206 . . 116 SER N . 51112 1 138 . 1 . 1 28 28 ALA H H 1 8.209 0.002 . 1 . . 75 . . 117 ALA H . 51112 1 139 . 1 . 1 28 28 ALA C C 13 177.424 0.003 . 1 . . 255 . . 117 ALA C . 51112 1 140 . 1 . 1 28 28 ALA CA C 13 52.655 0.009 . 1 . . 257 . . 117 ALA CA . 51112 1 141 . 1 . 1 28 28 ALA CB C 13 19.122 0.006 . 1 . . 256 . . 117 ALA CB . 51112 1 142 . 1 . 1 28 28 ALA N N 15 125.48 0.016 . 1 . . 76 . . 117 ALA N . 51112 1 143 . 1 . 1 29 29 TYR H H 1 8.059 0.001 . 1 . . 113 . . 118 TYR H . 51112 1 144 . 1 . 1 29 29 TYR C C 13 176.42 0.007 . 1 . . 252 . . 118 TYR C . 51112 1 145 . 1 . 1 29 29 TYR CA C 13 58.108 0.029 . 1 . . 253 . . 118 TYR CA . 51112 1 146 . 1 . 1 29 29 TYR CB C 13 38.687 0.032 . 1 . . 254 . . 118 TYR CB . 51112 1 147 . 1 . 1 29 29 TYR N N 15 118.898 0.003 . 1 . . 114 . . 118 TYR N . 51112 1 148 . 1 . 1 30 30 GLY H H 1 8.176 0.003 . 1 . . 13 . . 119 GLY H . 51112 1 149 . 1 . 1 30 30 GLY C C 13 174.183 0.004 . 1 . . 314 . . 119 GLY C . 51112 1 150 . 1 . 1 30 30 GLY CA C 13 45.324 0.026 . 1 . . 313 . . 119 GLY CA . 51112 1 151 . 1 . 1 30 30 GLY N N 15 110.374 0.096 . 1 . . 14 . . 119 GLY N . 51112 1 152 . 1 . 1 31 31 THR H H 1 7.987 0.001 . 1 . . 44 . . 120 THR H . 51112 1 153 . 1 . 1 31 31 THR C C 13 174.39 0.007 . 1 . . 429 . . 120 THR C . 51112 1 154 . 1 . 1 31 31 THR CA C 13 61.982 0.008 . 1 . . 427 . . 120 THR CA . 51112 1 155 . 1 . 1 31 31 THR CB C 13 69.941 0.027 . 1 . . 428 . . 120 THR CB . 51112 1 156 . 1 . 1 31 31 THR CG2 C 13 21.615 . . 1 . . 578 . . 120 THR CG2 . 51112 1 157 . 1 . 1 31 31 THR N N 15 113.453 0.008 . 1 . . 45 . . 120 THR N . 51112 1 158 . 1 . 1 32 32 GLN H H 1 8.379 0.002 . 1 . . 131 . . 121 GLN H . 51112 1 159 . 1 . 1 32 32 GLN C C 13 173.76 . . 1 . . 484 . . 121 GLN C . 51112 1 160 . 1 . 1 32 32 GLN CA C 13 53.686 . . 1 . . 483 . . 121 GLN CA . 51112 1 161 . 1 . 1 32 32 GLN CB C 13 28.968 . . 1 . . 482 . . 121 GLN CB . 51112 1 162 . 1 . 1 32 32 GLN N N 15 123.81 0.003 . 1 . . 132 . . 121 GLN N . 51112 1 163 . 1 . 1 33 33 PRO C C 13 176.072 0.007 . 1 . . 531 . . 122 PRO C . 51112 1 164 . 1 . 1 33 33 PRO CA C 13 62.988 0.021 . 1 . . 529 . . 122 PRO CA . 51112 1 165 . 1 . 1 33 33 PRO CB C 13 31.895 0.022 . 1 . . 544 . . 122 PRO CB . 51112 1 166 . 1 . 1 33 33 PRO CG C 13 27.309 . . 1 . . 577 . . 122 PRO CG . 51112 1 167 . 1 . 1 34 34 ALA H H 1 8.221 0.003 . 1 . . 521 . . 123 ALA H . 51112 1 168 . 1 . 1 34 34 ALA C C 13 176.866 0.002 . 1 . . 524 . . 123 ALA C . 51112 1 169 . 1 . 1 34 34 ALA CA C 13 52.262 0.031 . 1 . . 523 . . 123 ALA CA . 51112 1 170 . 1 . 1 34 34 ALA CB C 13 19.333 0.038 . 1 . . 525 . . 123 ALA CB . 51112 1 171 . 1 . 1 34 34 ALA N N 15 123.84 0.001 . 1 . . 522 . . 123 ALA N . 51112 1 172 . 1 . 1 35 35 TYR H H 1 7.985 0.002 . 1 . . 115 . . 124 TYR H . 51112 1 173 . 1 . 1 35 35 TYR C C 13 173.902 . . 1 . . 527 . . 124 TYR C . 51112 1 174 . 1 . 1 35 35 TYR CA C 13 55.521 . . 1 . . 526 . . 124 TYR CA . 51112 1 175 . 1 . 1 35 35 TYR CB C 13 38.326 . . 1 . . 528 . . 124 TYR CB . 51112 1 176 . 1 . 1 35 35 TYR N N 15 119.766 0.013 . 1 . . 116 . . 124 TYR N . 51112 1 177 . 1 . 1 36 36 PRO C C 13 176.34 0.01 . 1 . . 400 . . 125 PRO C . 51112 1 178 . 1 . 1 36 36 PRO CA C 13 63.128 0.051 . 1 . . 238 . . 125 PRO CA . 51112 1 179 . 1 . 1 36 36 PRO CB C 13 31.976 0.037 . 1 . . 398 . . 125 PRO CB . 51112 1 180 . 1 . 1 36 36 PRO CG C 13 27.306 . . 1 . . 399 . . 125 PRO CG . 51112 1 181 . 1 . 1 36 36 PRO CD C 13 50.577 . . 1 . . 397 . . 125 PRO CD . 51112 1 182 . 1 . 1 37 37 ALA H H 1 8.213 0.003 . 1 . . 123 . . 126 ALA H . 51112 1 183 . 1 . 1 37 37 ALA C C 13 177.371 0.004 . 1 . . 237 . . 126 ALA C . 51112 1 184 . 1 . 1 37 37 ALA CA C 13 52.4 0.011 . 1 . . 235 . . 126 ALA CA . 51112 1 185 . 1 . 1 37 37 ALA CB C 13 19.151 0.017 . 1 . . 236 . . 126 ALA CB . 51112 1 186 . 1 . 1 37 37 ALA N N 15 123.838 0.008 . 1 . . 124 . . 126 ALA N . 51112 1 187 . 1 . 1 38 38 TYR H H 1 8.026 0.002 . 1 . . 145 . . 127 TYR H . 51112 1 188 . 1 . 1 38 38 TYR C C 13 176.477 0.003 . 1 . . 227 . . 127 TYR C . 51112 1 189 . 1 . 1 38 38 TYR CA C 13 57.998 0.017 . 1 . . 228 . . 127 TYR CA . 51112 1 190 . 1 . 1 38 38 TYR CB C 13 38.634 0.014 . 1 . . 229 . . 127 TYR CB . 51112 1 191 . 1 . 1 38 38 TYR N N 15 118.946 0.004 . 1 . . 146 . . 127 TYR N . 51112 1 192 . 1 . 1 39 39 GLY H H 1 8.266 0.002 . 1 . . 1 . . 128 GLY H . 51112 1 193 . 1 . 1 39 39 GLY C C 13 173.85 0.008 . 1 . . 226 . . 128 GLY C . 51112 1 194 . 1 . 1 39 39 GLY CA C 13 45.278 0.027 . 1 . . 225 . . 128 GLY CA . 51112 1 195 . 1 . 1 39 39 GLY N N 15 110.666 0.007 . 1 . . 2 . . 128 GLY N . 51112 1 196 . 1 . 1 40 40 GLN H H 1 8.104 0.001 . 1 . . 209 . . 129 GLN H . 51112 1 197 . 1 . 1 40 40 GLN C C 13 175.759 0.01 . 1 . . 392 . . 129 GLN C . 51112 1 198 . 1 . 1 40 40 GLN CA C 13 55.663 0.039 . 1 . . 540 . . 129 GLN CA . 51112 1 199 . 1 . 1 40 40 GLN CB C 13 29.498 0.034 . 1 . . 541 . . 129 GLN CB . 51112 1 200 . 1 . 1 40 40 GLN CG C 13 33.823 . . 1 . . 576 . . 129 GLN CG . 51112 1 201 . 1 . 1 40 40 GLN N N 15 119.548 0.007 . 1 . . 210 . . 129 GLN N . 51112 1 202 . 1 . 1 41 41 GLN H H 1 8.446 0.001 . 1 . . 183 . . 130 GLN H . 51112 1 203 . 1 . 1 41 41 GLN C C 13 173.942 . . 1 . . 470 . . 130 GLN C . 51112 1 204 . 1 . 1 41 41 GLN CA C 13 53.77 . . 1 . . 469 . . 130 GLN CA . 51112 1 205 . 1 . 1 41 41 GLN CB C 13 28.806 . . 1 . . 468 . . 130 GLN CB . 51112 1 206 . 1 . 1 41 41 GLN N N 15 122.872 0.003 . 1 . . 184 . . 130 GLN N . 51112 1 207 . 1 . 1 42 42 PRO C C 13 176.5 . . 1 . . 534 . . 131 PRO C . 51112 1 208 . 1 . 1 42 42 PRO CA C 13 62.015 0.032 . 1 . . 538 . . 131 PRO CA . 51112 1 209 . 1 . 1 42 42 PRO CB C 13 32.004 0.028 . 1 . . 539 . . 131 PRO CB . 51112 1 210 . 1 . 1 42 42 PRO CG C 13 27.263 . . 1 . . 574 . . 131 PRO CG . 51112 1 211 . 1 . 1 42 42 PRO CD C 13 50.575 . . 1 . . 575 . . 131 PRO CD . 51112 1 212 . 1 . 1 43 43 ALA H H 1 8.366 0.007 . 1 . . 217 . . 132 ALA H . 51112 1 213 . 1 . 1 43 43 ALA C C 13 177.544 0.004 . 1 . . 382 . . 132 ALA C . 51112 1 214 . 1 . 1 43 43 ALA CA C 13 52.447 0.066 . 1 . . 381 . . 132 ALA CA . 51112 1 215 . 1 . 1 43 43 ALA CB C 13 19.286 0.009 . 1 . . 513 . . 132 ALA CB . 51112 1 216 . 1 . 1 43 43 ALA N N 15 124.297 0.088 . 1 . . 218 . . 132 ALA N . 51112 1 217 . 1 . 1 44 44 ALA H H 1 8.312 0.001 . 1 . . 159 . . 133 ALA H . 51112 1 218 . 1 . 1 44 44 ALA C C 13 177.794 0.013 . 1 . . 510 . . 133 ALA C . 51112 1 219 . 1 . 1 44 44 ALA CA C 13 52.543 0.057 . 1 . . 512 . . 133 ALA CA . 51112 1 220 . 1 . 1 44 44 ALA CB C 13 19.348 0.023 . 1 . . 511 . . 133 ALA CB . 51112 1 221 . 1 . 1 44 44 ALA N N 15 123.399 0.004 . 1 . . 160 . . 133 ALA N . 51112 1 222 . 1 . 1 45 45 THR H H 1 8.03 0.004 . 1 . . 52 . . 134 THR H . 51112 1 223 . 1 . 1 45 45 THR C C 13 173.922 0.012 . 1 . . 380 . . 134 THR C . 51112 1 224 . 1 . 1 45 45 THR CA C 13 61.563 0.011 . 1 . . 378 . . 134 THR CA . 51112 1 225 . 1 . 1 45 45 THR CB C 13 69.933 0.035 . 1 . . 379 . . 134 THR CB . 51112 1 226 . 1 . 1 45 45 THR CG2 C 13 21.628 . . 1 . . 572 . . 134 THR CG2 . 51112 1 227 . 1 . 1 45 45 THR N N 15 113.187 0.01 . 1 . . 53 . . 134 THR N . 51112 1 228 . 1 . 1 46 46 ALA H H 1 8.246 0.001 . 1 . . 153 . . 135 ALA H . 51112 1 229 . 1 . 1 46 46 ALA C C 13 175.436 . . 1 . . 473 . . 135 ALA C . 51112 1 230 . 1 . 1 46 46 ALA CA C 13 50.616 . . 1 . . 471 . . 135 ALA CA . 51112 1 231 . 1 . 1 46 46 ALA CB C 13 18.196 . . 1 . . 472 . . 135 ALA CB . 51112 1 232 . 1 . 1 46 46 ALA N N 15 127.827 0.008 . 1 . . 154 . . 135 ALA N . 51112 1 233 . 1 . 1 47 47 PRO C C 13 177.027 0.003 . 1 . . 509 . . 136 PRO C . 51112 1 234 . 1 . 1 47 47 PRO CA C 13 63.061 0.005 . 1 . . 507 . . 136 PRO CA . 51112 1 235 . 1 . 1 47 47 PRO CB C 13 32.085 0.003 . 1 . . 508 . . 136 PRO CB . 51112 1 236 . 1 . 1 48 48 THR H H 1 8.225 0.001 . 1 . . 199 . . 137 THR H . 51112 1 237 . 1 . 1 48 48 THR C C 13 174.285 0.002 . 1 . . 505 . . 137 THR C . 51112 1 238 . 1 . 1 48 48 THR CA C 13 63.132 0.063 . 1 . . 506 . . 137 THR CA . 51112 1 239 . 1 . 1 48 48 THR CB C 13 69.921 0.02 . 1 . . 502 . . 137 THR CB . 51112 1 240 . 1 . 1 48 48 THR CG2 C 13 21.741 . . 1 . . 573 . . 137 THR CG2 . 51112 1 241 . 1 . 1 48 48 THR N N 15 114.798 0.025 . 1 . . 200 . . 137 THR N . 51112 1 242 . 1 . 1 49 49 ARG H H 1 8.367 0.001 . 1 . . 103 . . 138 ARG H . 51112 1 243 . 1 . 1 49 49 ARG CA C 13 53.954 . . 1 . . 503 . . 138 ARG CA . 51112 1 244 . 1 . 1 49 49 ARG CB C 13 30.345 . . 1 . . 504 . . 138 ARG CB . 51112 1 245 . 1 . 1 49 49 ARG N N 15 124.328 0.023 . 1 . . 104 . . 138 ARG N . 51112 1 246 . 1 . 1 50 50 PRO C C 13 177.139 0 . 1 . . 533 . . 139 PRO C . 51112 1 247 . 1 . 1 50 50 PRO CA C 13 63.487 0.034 . 1 . . 536 . . 139 PRO CA . 51112 1 248 . 1 . 1 50 50 PRO CB C 13 32.053 0.001 . 1 . . 537 . . 139 PRO CB . 51112 1 249 . 1 . 1 50 50 PRO CG C 13 27.356 . . 1 . . 570 . . 139 PRO CG . 51112 1 250 . 1 . 1 51 51 GLN H H 1 8.625 0.002 . 1 . . 173 . . 140 GLN H . 51112 1 251 . 1 . 1 51 51 GLN C C 13 175.87 0.002 . 1 . . 263 . . 140 GLN C . 51112 1 252 . 1 . 1 51 51 GLN CA C 13 56.04 0.022 . 1 . . 265 . . 140 GLN CA . 51112 1 253 . 1 . 1 51 51 GLN CB C 13 29.183 0.008 . 1 . . 264 . . 140 GLN CB . 51112 1 254 . 1 . 1 51 51 GLN CG C 13 33.703 . . 1 . . 569 . . 140 GLN CG . 51112 1 255 . 1 . 1 51 51 GLN N N 15 120.218 0.005 . 1 . . 174 . . 140 GLN N . 51112 1 256 . 1 . 1 52 52 ASP H H 1 8.268 0.001 . 1 . . 19 . . 141 ASP H . 51112 1 257 . 1 . 1 52 52 ASP C C 13 176.702 0.005 . 1 . . 304 . . 141 ASP C . 51112 1 258 . 1 . 1 52 52 ASP CA C 13 54.414 0.012 . 1 . . 303 . . 141 ASP CA . 51112 1 259 . 1 . 1 52 52 ASP CB C 13 41.266 0.005 . 1 . . 302 . . 141 ASP CB . 51112 1 260 . 1 . 1 52 52 ASP N N 15 121.536 0.007 . 1 . . 20 . . 141 ASP N . 51112 1 261 . 1 . 1 53 53 GLY H H 1 8.301 0.002 . 1 . . 31 . . 142 GLY H . 51112 1 262 . 1 . 1 53 53 GLY C C 13 173.988 0.004 . 1 . . 373 . . 142 GLY C . 51112 1 263 . 1 . 1 53 53 GLY CA C 13 45.512 0.018 . 1 . . 374 . . 142 GLY CA . 51112 1 264 . 1 . 1 53 53 GLY N N 15 108.998 0.011 . 1 . . 32 . . 142 GLY N . 51112 1 265 . 1 . 1 54 54 ASN H H 1 8.307 0.001 . 1 . . 169 . . 143 ASN H . 51112 1 266 . 1 . 1 54 54 ASN C C 13 174.853 0.004 . 1 . . 372 . . 143 ASN C . 51112 1 267 . 1 . 1 54 54 ASN CA C 13 53.156 0.01 . 1 . . 370 . . 143 ASN CA . 51112 1 268 . 1 . 1 54 54 ASN CB C 13 38.946 0.002 . 1 . . 371 . . 143 ASN CB . 51112 1 269 . 1 . 1 54 54 ASN N N 15 118.54 0.01 . 1 . . 170 . . 143 ASN N . 51112 1 270 . 1 . 1 55 55 LYS H H 1 8.214 0.002 . 1 . . 141 . . 144 LYS H . 51112 1 271 . 1 . 1 55 55 LYS C C 13 174.436 . . 1 . . 464 . . 144 LYS C . 51112 1 272 . 1 . 1 55 55 LYS CA C 13 54.35 . . 1 . . 463 . . 144 LYS CA . 51112 1 273 . 1 . 1 55 55 LYS CB C 13 32.538 . . 1 . . 462 . . 144 LYS CB . 51112 1 274 . 1 . 1 55 55 LYS N N 15 122.612 0.007 . 1 . . 142 . . 144 LYS N . 51112 1 275 . 1 . 1 56 56 PRO C C 13 177.113 0.003 . 1 . . 467 . . 145 PRO C . 51112 1 276 . 1 . 1 56 56 PRO CA C 13 63.322 0.004 . 1 . . 466 . . 145 PRO CA . 51112 1 277 . 1 . 1 56 56 PRO CB C 13 32.074 0.012 . 1 . . 465 . . 145 PRO CB . 51112 1 278 . 1 . 1 56 56 PRO CG C 13 27.307 . . 1 . . 568 . . 145 PRO CG . 51112 1 279 . 1 . 1 57 57 THR H H 1 8.25 0.001 . 1 . . 17 . . 146 THR H . 51112 1 280 . 1 . 1 57 57 THR C C 13 174.706 0.003 . 1 . . 246 . . 146 THR C . 51112 1 281 . 1 . 1 57 57 THR CA C 13 62.167 0.051 . 1 . . 245 . . 146 THR CA . 51112 1 282 . 1 . 1 57 57 THR CB C 13 69.866 0.021 . 1 . . 244 . . 146 THR CB . 51112 1 283 . 1 . 1 57 57 THR CG2 C 13 21.731 . . 1 . . 567 . . 146 THR CG2 . 51112 1 284 . 1 . 1 57 57 THR N N 15 114.595 0.007 . 1 . . 18 . . 146 THR N . 51112 1 285 . 1 . 1 58 58 GLU H H 1 8.477 0.002 . 1 . . 143 . . 147 GLU H . 51112 1 286 . 1 . 1 58 58 GLU C C 13 176.553 0.01 . 1 . . 243 . . 147 GLU C . 51112 1 287 . 1 . 1 58 58 GLU CA C 13 56.687 0.012 . 1 . . 242 . . 147 GLU CA . 51112 1 288 . 1 . 1 58 58 GLU CB C 13 30.43 0.023 . 1 . . 241 . . 147 GLU CB . 51112 1 289 . 1 . 1 58 58 GLU CG C 13 36.23 . . 1 . . 566 . . 147 GLU CG . 51112 1 290 . 1 . 1 58 58 GLU N N 15 123.551 0.002 . 1 . . 144 . . 147 GLU N . 51112 1 291 . 1 . 1 59 59 THR H H 1 8.229 0.006 . 1 . . 5 . . 148 THR H . 51112 1 292 . 1 . 1 59 59 THR C C 13 174.442 0.03 . 1 . . 396 . . 148 THR C . 51112 1 293 . 1 . 1 59 59 THR CA C 13 61.964 0.09 . 1 . . 395 . . 148 THR CA . 51112 1 294 . 1 . 1 59 59 THR CB C 13 69.916 0.005 . 1 . . 394 . . 148 THR CB . 51112 1 295 . 1 . 1 59 59 THR N N 15 114.918 0.126 . 1 . . 6 . . 148 THR N . 51112 1 296 . 1 . 1 60 60 SER H H 1 8.306 0.002 . 1 . . 592 . . 149 SER H . 51112 1 297 . 1 . 1 60 60 SER C C 13 174.056 0.008 . 1 . . 595 . . 149 SER C . 51112 1 298 . 1 . 1 60 60 SER N N 15 118.261 0.006 . 1 . . 591 . . 149 SER N . 51112 1 299 . 1 . 1 61 61 GLN H H 1 8.358 0.002 . 1 . . 593 . . 150 GLN H . 51112 1 300 . 1 . 1 61 61 GLN N N 15 122.833 0.006 . 1 . . 594 . . 150 GLN N . 51112 1 301 . 1 . 1 62 62 PRO C C 13 176.974 0.007 . 1 . . 444 . . 151 PRO C . 51112 1 302 . 1 . 1 62 62 PRO CA C 13 63.346 0.001 . 1 . . 443 . . 151 PRO CA . 51112 1 303 . 1 . 1 62 62 PRO CB C 13 32.046 0 . 1 . . 442 . . 151 PRO CB . 51112 1 304 . 1 . 1 62 62 PRO CG C 13 27.273 . . 1 . . 565 . . 151 PRO CG . 51112 1 305 . 1 . 1 63 63 GLN H H 1 8.564 0.002 . 1 . . 129 . . 152 GLN H . 51112 1 306 . 1 . 1 63 63 GLN C C 13 176.128 0.006 . 1 . . 342 . . 152 GLN C . 51112 1 307 . 1 . 1 63 63 GLN CA C 13 55.885 0.012 . 1 . . 340 . . 152 GLN CA . 51112 1 308 . 1 . 1 63 63 GLN CB C 13 29.418 0.033 . 1 . . 341 . . 152 GLN CB . 51112 1 309 . 1 . 1 63 63 GLN CG C 13 33.81 . . 1 . . 564 . . 152 GLN CG . 51112 1 310 . 1 . 1 63 63 GLN N N 15 120.733 0.005 . 1 . . 130 . . 152 GLN N . 51112 1 311 . 1 . 1 64 64 SER H H 1 8.369 0.001 . 1 . . 127 . . 153 SER H . 51112 1 312 . 1 . 1 64 64 SER C C 13 174.737 0.013 . 1 . . 339 . . 153 SER C . 51112 1 313 . 1 . 1 64 64 SER CA C 13 58.469 0.069 . 1 . . 337 . . 153 SER CA . 51112 1 314 . 1 . 1 64 64 SER CB C 13 63.834 0.031 . 1 . . 338 . . 153 SER CB . 51112 1 315 . 1 . 1 64 64 SER N N 15 116.837 0.006 . 1 . . 128 . . 153 SER N . 51112 1 316 . 1 . 1 65 65 SER H H 1 8.462 0.003 . 1 . . 89 . . 154 SER H . 51112 1 317 . 1 . 1 65 65 SER C C 13 174.956 0.001 . 1 . . 439 . . 154 SER C . 51112 1 318 . 1 . 1 65 65 SER CA C 13 58.633 0.046 . 1 . . 441 . . 154 SER CA . 51112 1 319 . 1 . 1 65 65 SER CB C 13 63.789 0.024 . 1 . . 440 . . 154 SER CB . 51112 1 320 . 1 . 1 65 65 SER N N 15 117.962 0.005 . 1 . . 90 . . 154 SER N . 51112 1 321 . 1 . 1 66 66 THR H H 1 8.176 0.003 . 1 . . 223 . . 155 THR H . 51112 1 322 . 1 . 1 66 66 THR C C 13 175.205 0.006 . 1 . . 320 . . 155 THR C . 51112 1 323 . 1 . 1 66 66 THR CA C 13 62.044 0.024 . 1 . . 322 . . 155 THR CA . 51112 1 324 . 1 . 1 66 66 THR CB C 13 69.754 0.005 . 1 . . 321 . . 155 THR CB . 51112 1 325 . 1 . 1 66 66 THR CG2 C 13 21.492 . . 1 . . 563 . . 155 THR CG2 . 51112 1 326 . 1 . 1 66 66 THR N N 15 114.79 0.026 . 1 . . 224 . . 155 THR N . 51112 1 327 . 1 . 1 67 67 GLY H H 1 8.318 0.003 . 1 . . 85 . . 156 GLY H . 51112 1 328 . 1 . 1 67 67 GLY C C 13 174.432 0.001 . 1 . . 318 . . 156 GLY C . 51112 1 329 . 1 . 1 67 67 GLY CA C 13 45.491 0.027 . 1 . . 319 . . 156 GLY CA . 51112 1 330 . 1 . 1 67 67 GLY N N 15 110.876 0.064 . 1 . . 86 . . 156 GLY N . 51112 1 331 . 1 . 1 68 68 GLY H H 1 8.174 0.001 . 1 . . 50 . . 157 GLY H . 51112 1 332 . 1 . 1 68 68 GLY C C 13 173.815 0.002 . 1 . . 343 . . 157 GLY C . 51112 1 333 . 1 . 1 68 68 GLY CA C 13 45.065 0.021 . 1 . . 344 . . 157 GLY CA . 51112 1 334 . 1 . 1 68 68 GLY N N 15 108.467 0.013 . 1 . . 51 . . 157 GLY N . 51112 1 335 . 1 . 1 69 69 TYR H H 1 8.072 0.002 . 1 . . 97 . . 158 TYR H . 51112 1 336 . 1 . 1 69 69 TYR C C 13 175.527 0.003 . 1 . . 349 . . 158 TYR C . 51112 1 337 . 1 . 1 69 69 TYR CA C 13 57.955 0.015 . 1 . . 348 . . 158 TYR CA . 51112 1 338 . 1 . 1 69 69 TYR CB C 13 38.802 0.108 . 1 . . 451 . . 158 TYR CB . 51112 1 339 . 1 . 1 69 69 TYR N N 15 120.032 0.002 . 1 . . 98 . . 158 TYR N . 51112 1 340 . 1 . 1 70 70 ASN H H 1 8.338 0.002 . 1 . . 109 . . 159 ASN H . 51112 1 341 . 1 . 1 70 70 ASN C C 13 174.262 0.005 . 1 . . 345 . . 159 ASN C . 51112 1 342 . 1 . 1 70 70 ASN CA C 13 52.927 0.006 . 1 . . 347 . . 159 ASN CA . 51112 1 343 . 1 . 1 70 70 ASN CB C 13 38.913 0.018 . 1 . . 346 . . 159 ASN CB . 51112 1 344 . 1 . 1 70 70 ASN N N 15 121.012 0.006 . 1 . . 110 . . 159 ASN N . 51112 1 345 . 1 . 1 71 71 GLN H H 1 8.137 0.001 . 1 . . 101 . . 160 GLN H . 51112 1 346 . 1 . 1 71 71 GLN C C 13 173.932 . . 1 . . 454 . . 160 GLN C . 51112 1 347 . 1 . 1 71 71 GLN CA C 13 53.882 . . 1 . . 453 . . 160 GLN CA . 51112 1 348 . 1 . 1 71 71 GLN CB C 13 28.97 . . 1 . . 452 . . 160 GLN CB . 51112 1 349 . 1 . 1 71 71 GLN N N 15 121.346 0.012 . 1 . . 102 . . 160 GLN N . 51112 1 350 . 1 . 1 72 72 PRO C C 13 176.884 0.007 . 1 . . 426 . . 161 PRO C . 51112 1 351 . 1 . 1 72 72 PRO CA C 13 63.377 0.091 . 1 . . 425 . . 161 PRO CA . 51112 1 352 . 1 . 1 72 72 PRO CB C 13 32.058 0.03 . 1 . . 424 . . 161 PRO CB . 51112 1 353 . 1 . 1 72 72 PRO CG C 13 27.189 . . 1 . . 561 . . 161 PRO CG . 51112 1 354 . 1 . 1 73 73 SER H H 1 8.349 0.001 . 1 . . 179 . . 162 SER H . 51112 1 355 . 1 . 1 73 73 SER C C 13 174.633 0.013 . 1 . . 311 . . 162 SER C . 51112 1 356 . 1 . 1 73 73 SER CA C 13 58.452 0.009 . 1 . . 312 . . 162 SER CA . 51112 1 357 . 1 . 1 73 73 SER CB C 13 63.708 0.023 . 1 . . 562 . . 162 SER CB . 51112 1 358 . 1 . 1 73 73 SER N N 15 115.786 0.008 . 1 . . 180 . . 162 SER N . 51112 1 359 . 1 . 1 74 74 LEU H H 1 8.228 0.001 . 1 . . 215 . . 163 LEU H . 51112 1 360 . 1 . 1 74 74 LEU C C 13 177.661 0.005 . 1 . . 309 . . 163 LEU C . 51112 1 361 . 1 . 1 74 74 LEU CA C 13 55.476 0.012 . 1 . . 308 . . 163 LEU CA . 51112 1 362 . 1 . 1 74 74 LEU CB C 13 42.32 0.054 . 1 . . 310 . . 163 LEU CB . 51112 1 363 . 1 . 1 74 74 LEU CG C 13 27.038 . . 1 . . 560 . . 163 LEU CG . 51112 1 364 . 1 . 1 74 74 LEU CD1 C 13 24.797 . . 1 . . 559 . . 163 LEU CD1 . 51112 1 365 . 1 . 1 74 74 LEU N N 15 123.905 0.003 . 1 . . 216 . . 163 LEU N . 51112 1 366 . 1 . 1 75 75 GLY H H 1 8.259 0.003 . 1 . . 42 . . 164 GLY H . 51112 1 367 . 1 . 1 75 75 GLY C C 13 173.846 0.012 . 1 . . 333 . . 164 GLY C . 51112 1 368 . 1 . 1 75 75 GLY CA C 13 45.083 0.004 . 1 . . 332 . . 164 GLY CA . 51112 1 369 . 1 . 1 75 75 GLY N N 15 108.921 0.005 . 1 . . 43 . . 164 GLY N . 51112 1 370 . 1 . 1 76 76 TYR H H 1 8.038 0.001 . 1 . . 105 . . 165 TYR H . 51112 1 371 . 1 . 1 76 76 TYR C C 13 176.59 0.003 . 1 . . 331 . . 165 TYR C . 51112 1 372 . 1 . 1 76 76 TYR CA C 13 58.322 0.029 . 1 . . 330 . . 165 TYR CA . 51112 1 373 . 1 . 1 76 76 TYR CB C 13 38.657 0.022 . 1 . . 329 . . 165 TYR CB . 51112 1 374 . 1 . 1 76 76 TYR N N 15 120.02 0.004 . 1 . . 106 . . 165 TYR N . 51112 1 375 . 1 . 1 77 77 GLY H H 1 8.372 0.002 . 1 . . 79 . . 166 GLY H . 51112 1 376 . 1 . 1 77 77 GLY C C 13 174.084 0.001 . 1 . . 362 . . 166 GLY C . 51112 1 377 . 1 . 1 77 77 GLY CA C 13 45.355 0.035 . 1 . . 363 . . 166 GLY CA . 51112 1 378 . 1 . 1 77 77 GLY N N 15 111.014 0.008 . 1 . . 80 . . 166 GLY N . 51112 1 379 . 1 . 1 78 78 GLN H H 1 8.109 0.003 . 1 . . 125 . . 167 GLN H . 51112 1 380 . 1 . 1 78 78 GLN C C 13 176.08 0.003 . 1 . . 360 . . 167 GLN C . 51112 1 381 . 1 . 1 78 78 GLN CA C 13 55.768 0.037 . 1 . . 361 . . 167 GLN CA . 51112 1 382 . 1 . 1 78 78 GLN CB C 13 29.525 0.007 . 1 . . 359 . . 167 GLN CB . 51112 1 383 . 1 . 1 78 78 GLN CG C 13 33.809 . . 1 . . 558 . . 167 GLN CG . 51112 1 384 . 1 . 1 78 78 GLN N N 15 119.548 0.006 . 1 . . 126 . . 167 GLN N . 51112 1 385 . 1 . 1 79 79 SER H H 1 8.371 0.003 . 1 . . 137 . . 168 SER H . 51112 1 386 . 1 . 1 79 79 SER C C 13 174.052 0.008 . 1 . . 358 . . 168 SER C . 51112 1 387 . 1 . 1 79 79 SER CA C 13 58.59 0.028 . 1 . . 356 . . 168 SER CA . 51112 1 388 . 1 . 1 79 79 SER CB C 13 63.781 0.008 . 1 . . 357 . . 168 SER CB . 51112 1 389 . 1 . 1 79 79 SER N N 15 116.558 0.013 . 1 . . 138 . . 168 SER N . 51112 1 390 . 1 . 1 80 80 ASN H H 1 8.337 0.001 . 1 . . 191 . . 169 ASN H . 51112 1 391 . 1 . 1 80 80 ASN C C 13 174.596 0.008 . 1 . . 353 . . 169 ASN C . 51112 1 392 . 1 . 1 80 80 ASN CA C 13 53.248 0.032 . 1 . . 354 . . 169 ASN CA . 51112 1 393 . 1 . 1 80 80 ASN CB C 13 38.743 0.031 . 1 . . 355 . . 169 ASN CB . 51112 1 394 . 1 . 1 80 80 ASN N N 15 120.121 0.005 . 1 . . 192 . . 169 ASN N . 51112 1 395 . 1 . 1 81 81 TYR H H 1 8.044 0.002 . 1 . . 157 . . 170 TYR H . 51112 1 396 . 1 . 1 81 81 TYR C C 13 175.425 0.004 . 1 . . 352 . . 170 TYR C . 51112 1 397 . 1 . 1 81 81 TYR CA C 13 57.99 0.035 . 1 . . 350 . . 170 TYR CA . 51112 1 398 . 1 . 1 81 81 TYR CB C 13 38.872 0.019 . 1 . . 351 . . 170 TYR CB . 51112 1 399 . 1 . 1 81 81 TYR N N 15 120.495 0.005 . 1 . . 158 . . 170 TYR N . 51112 1 400 . 1 . 1 82 82 SER H H 1 7.978 0.003 . 1 . . 107 . . 171 SER H . 51112 1 401 . 1 . 1 82 82 SER C C 13 173.111 0.008 . 1 . . 450 . . 171 SER C . 51112 1 402 . 1 . 1 82 82 SER CA C 13 57.942 0.006 . 1 . . 449 . . 171 SER CA . 51112 1 403 . 1 . 1 82 82 SER CB C 13 63.829 0.01 . 1 . . 448 . . 171 SER CB . 51112 1 404 . 1 . 1 82 82 SER N N 15 117.534 0.014 . 1 . . 108 . . 171 SER N . 51112 1 405 . 1 . 1 83 83 TYR H H 1 7.966 0.002 . 1 . . 7 . . 172 TYR H . 51112 1 406 . 1 . 1 83 83 TYR C C 13 173.834 . . 1 . . 487 . . 172 TYR C . 51112 1 407 . 1 . 1 83 83 TYR CA C 13 55.903 . . 1 . . 486 . . 172 TYR CA . 51112 1 408 . 1 . 1 83 83 TYR CB C 13 38.165 . . 1 . . 485 . . 172 TYR CB . 51112 1 409 . 1 . 1 83 83 TYR N N 15 122.853 0.004 . 1 . . 8 . . 172 TYR N . 51112 1 410 . 1 . 1 84 84 PRO C C 13 176.552 0.001 . 1 . . 423 . . 173 PRO C . 51112 1 411 . 1 . 1 84 84 PRO CA C 13 63.284 0.006 . 1 . . 420 . . 173 PRO CA . 51112 1 412 . 1 . 1 84 84 PRO CB C 13 31.963 0.019 . 1 . . 422 . . 173 PRO CB . 51112 1 413 . 1 . 1 84 84 PRO CG C 13 27.307 . . 1 . . 556 . . 173 PRO CG . 51112 1 414 . 1 . 1 85 85 GLN H H 1 8.39 0.002 . 1 . . 119 . . 174 GLN H . 51112 1 415 . 1 . 1 85 85 GLN C C 13 175.805 0.002 . 1 . . 306 . . 174 GLN C . 51112 1 416 . 1 . 1 85 85 GLN CA C 13 55.662 0.013 . 1 . . 307 . . 174 GLN CA . 51112 1 417 . 1 . 1 85 85 GLN CB C 13 29.537 0.028 . 1 . . 305 . . 174 GLN CB . 51112 1 418 . 1 . 1 85 85 GLN CG C 13 33.927 . . 1 . . 555 . . 174 GLN CG . 51112 1 419 . 1 . 1 85 85 GLN N N 15 120.824 0.005 . 1 . . 120 . . 174 GLN N . 51112 1 420 . 1 . 1 86 86 VAL H H 1 8.18 0.002 . 1 . . 38 . . 175 VAL H . 51112 1 421 . 1 . 1 86 86 VAL C C 13 174.443 . . 1 . . 418 . . 175 VAL C . 51112 1 422 . 1 . 1 86 86 VAL CA C 13 59.909 . . 1 . . 417 . . 175 VAL CA . 51112 1 423 . 1 . 1 86 86 VAL CB C 13 32.597 . . 1 . . 419 . . 175 VAL CB . 51112 1 424 . 1 . 1 86 86 VAL N N 15 122.552 0.015 . 1 . . 39 . . 175 VAL N . 51112 1 425 . 1 . 1 87 87 PRO C C 13 177.388 0 . 1 . . 404 . . 176 PRO C . 51112 1 426 . 1 . 1 87 87 PRO CA C 13 63.725 0.054 . 1 . . 532 . . 176 PRO CA . 51112 1 427 . 1 . 1 87 87 PRO CB C 13 32.015 0.026 . 1 . . 405 . . 176 PRO CB . 51112 1 428 . 1 . 1 87 87 PRO CG C 13 27.449 . . 1 . . 406 . . 176 PRO CG . 51112 1 429 . 1 . 1 88 88 GLY H H 1 8.47 0.002 . 1 . . 23 . . 177 GLY H . 51112 1 430 . 1 . 1 88 88 GLY C C 13 173.976 0.033 . 1 . . 240 . . 177 GLY C . 51112 1 431 . 1 . 1 88 88 GLY CA C 13 45.26 0.003 . 1 . . 239 . . 177 GLY CA . 51112 1 432 . 1 . 1 88 88 GLY N N 15 109.796 0.007 . 1 . . 24 . . 177 GLY N . 51112 1 433 . 1 . 1 89 89 SER H H 1 7.968 0.002 . 1 . . 3 . . 178 SER H . 51112 1 434 . 1 . 1 89 89 SER C C 13 173.534 0.029 . 1 . . 403 . . 178 SER C . 51112 1 435 . 1 . 1 89 89 SER CA C 13 58.219 0.033 . 1 . . 401 . . 178 SER CA . 51112 1 436 . 1 . 1 89 89 SER CB C 13 64.023 0.007 . 1 . . 402 . . 178 SER CB . 51112 1 437 . 1 . 1 89 89 SER N N 15 115.025 0.006 . 1 . . 4 . . 178 SER N . 51112 1 438 . 1 . 1 90 90 TYR H H 1 8.124 0.002 . 1 . . 87 . . 179 TYR H . 51112 1 439 . 1 . 1 90 90 TYR C C 13 173.808 . . 1 . . 488 . . 179 TYR C . 51112 1 440 . 1 . 1 90 90 TYR CA C 13 55.761 . . 1 . . 489 . . 179 TYR CA . 51112 1 441 . 1 . 1 90 90 TYR CB C 13 38.357 . . 1 . . 490 . . 179 TYR CB . 51112 1 442 . 1 . 1 90 90 TYR N N 15 122.689 0.007 . 1 . . 88 . . 179 TYR N . 51112 1 443 . 1 . 1 91 91 PRO C C 13 176.646 0 . 1 . . 518 . . 180 PRO C . 51112 1 444 . 1 . 1 91 91 PRO CA C 13 63.298 0.013 . 1 . . 415 . . 180 PRO CA . 51112 1 445 . 1 . 1 91 91 PRO CB C 13 31.964 0.036 . 1 . . 416 . . 180 PRO CB . 51112 1 446 . 1 . 1 91 91 PRO CG C 13 27.272 . . 1 . . 554 . . 180 PRO CG . 51112 1 447 . 1 . 1 92 92 MET H H 1 8.337 0.001 . 1 . . 149 . . 181 MET H . 51112 1 448 . 1 . 1 92 92 MET C C 13 175.951 0.003 . 1 . . 299 . . 181 MET C . 51112 1 449 . 1 . 1 92 92 MET CA C 13 55.534 0.017 . 1 . . 301 . . 181 MET CA . 51112 1 450 . 1 . 1 92 92 MET CB C 13 33.032 0.015 . 1 . . 300 . . 181 MET CB . 51112 1 451 . 1 . 1 92 92 MET CG C 13 32.036 . . 1 . . 553 . . 181 MET CG . 51112 1 452 . 1 . 1 92 92 MET N N 15 120.48 0.017 . 1 . . 150 . . 181 MET N . 51112 1 453 . 1 . 1 93 93 GLN H H 1 8.299 0.002 . 1 . . 29 . . 182 GLN H . 51112 1 454 . 1 . 1 93 93 GLN C C 13 173.808 . . 1 . . 414 . . 182 GLN C . 51112 1 455 . 1 . 1 93 93 GLN CA C 13 53.654 . . 1 . . 413 . . 182 GLN CA . 51112 1 456 . 1 . 1 93 93 GLN CB C 13 28.971 . . 1 . . 412 . . 182 GLN CB . 51112 1 457 . 1 . 1 93 93 GLN N N 15 122.568 0.005 . 1 . . 30 . . 182 GLN N . 51112 1 458 . 1 . 1 94 94 PRO C C 13 176.785 0.003 . 1 . . 461 . . 183 PRO C . 51112 1 459 . 1 . 1 94 94 PRO CA C 13 63.061 0.013 . 1 . . 460 . . 183 PRO CA . 51112 1 460 . 1 . 1 94 94 PRO CB C 13 32.124 0.053 . 1 . . 459 . . 183 PRO CB . 51112 1 461 . 1 . 1 94 94 PRO CG C 13 27.308 . . 1 . . 552 . . 183 PRO CG . 51112 1 462 . 1 . 1 95 95 VAL H H 1 8.298 0.002 . 1 . . 139 . . 184 VAL H . 51112 1 463 . 1 . 1 95 95 VAL C C 13 176.423 0.003 . 1 . . 367 . . 184 VAL C . 51112 1 464 . 1 . 1 95 95 VAL CA C 13 62.317 0.047 . 1 . . 368 . . 184 VAL CA . 51112 1 465 . 1 . 1 95 95 VAL CB C 13 32.761 0.012 . 1 . . 369 . . 184 VAL CB . 51112 1 466 . 1 . 1 95 95 VAL CG1 C 13 20.544 . . 2 . . 550 . . 184 VAL CG1 . 51112 1 467 . 1 . 1 95 95 VAL CG2 C 13 21.183 . . 2 . . 551 . . 184 VAL CG2 . 51112 1 468 . 1 . 1 95 95 VAL N N 15 120.66 0.009 . 1 . . 140 . . 184 VAL N . 51112 1 469 . 1 . 1 96 96 THR H H 1 8.178 0.003 . 1 . . 177 . . 185 THR H . 51112 1 470 . 1 . 1 96 96 THR C C 13 173.64 0.003 . 1 . . 366 . . 185 THR C . 51112 1 471 . 1 . 1 96 96 THR CA C 13 61.625 0.013 . 1 . . 365 . . 185 THR CA . 51112 1 472 . 1 . 1 96 96 THR CB C 13 69.94 0.015 . 1 . . 364 . . 185 THR CB . 51112 1 473 . 1 . 1 96 96 THR CG2 C 13 21.596 . . 1 . . 548 . . 185 THR CG2 . 51112 1 474 . 1 . 1 96 96 THR N N 15 118.396 0.006 . 1 . . 178 . . 185 THR N . 51112 1 475 . 1 . 1 97 97 ALA H H 1 8.266 0.002 . 1 . . 135 . . 186 ALA H . 51112 1 476 . 1 . 1 97 97 ALA C C 13 174.765 . . 1 . . 457 . . 186 ALA C . 51112 1 477 . 1 . 1 97 97 ALA CA C 13 50.426 . . 1 . . 456 . . 186 ALA CA . 51112 1 478 . 1 . 1 97 97 ALA CB C 13 18.181 . . 1 . . 455 . . 186 ALA CB . 51112 1 479 . 1 . 1 97 97 ALA N N 15 128.189 0.008 . 1 . . 136 . . 186 ALA N . 51112 1 480 . 1 . 1 99 99 PRO C C 13 176.477 0.001 . 1 . . 435 . . 188 PRO C . 51112 1 481 . 1 . 1 99 99 PRO CA C 13 62.917 0.001 . 1 . . 434 . . 188 PRO CA . 51112 1 482 . 1 . 1 99 99 PRO CB C 13 32.004 0.045 . 1 . . 433 . . 188 PRO CB . 51112 1 483 . 1 . 1 99 99 PRO CG C 13 27.307 . . 1 . . 547 . . 188 PRO CG . 51112 1 484 . 1 . 1 100 100 SER H H 1 8.171 0.003 . 1 . . 201 . . 189 SER H . 51112 1 485 . 1 . 1 100 100 SER C C 13 173.502 0.001 . 1 . . 315 . . 189 SER C . 51112 1 486 . 1 . 1 100 100 SER CA C 13 57.936 0.007 . 1 . . 316 . . 189 SER CA . 51112 1 487 . 1 . 1 100 100 SER CB C 13 63.951 0.011 . 1 . . 317 . . 189 SER CB . 51112 1 488 . 1 . 1 100 100 SER N N 15 115.508 0.006 . 1 . . 202 . . 189 SER N . 51112 1 489 . 1 . 1 101 101 TYR H H 1 8.095 0.002 . 1 . . 48 . . 190 TYR H . 51112 1 490 . 1 . 1 101 101 TYR C C 13 173.391 . . 1 . . 432 . . 190 TYR C . 51112 1 491 . 1 . 1 101 101 TYR CA C 13 55.627 . . 1 . . 431 . . 190 TYR CA . 51112 1 492 . 1 . 1 101 101 TYR CB C 13 38.269 . . 1 . . 430 . . 190 TYR CB . 51112 1 493 . 1 . 1 101 101 TYR N N 15 122.442 0.003 . 1 . . 49 . . 190 TYR N . 51112 1 494 . 1 . 1 103 103 PRO C C 13 177.209 0.011 . 1 . . 517 . . 192 PRO C . 51112 1 495 . 1 . 1 103 103 PRO CA C 13 63.214 0.026 . 1 . . 497 . . 192 PRO CA . 51112 1 496 . 1 . 1 103 103 PRO CB C 13 32.051 0.035 . 1 . . 499 . . 192 PRO CB . 51112 1 497 . 1 . 1 103 103 PRO CG C 13 27.331 . . 1 . . 500 . . 192 PRO CG . 51112 1 498 . 1 . 1 103 103 PRO CD C 13 50.41 . . 1 . . 498 . . 192 PRO CD . 51112 1 499 . 1 . 1 104 104 THR H H 1 8.163 0.001 . 1 . . 35 . . 193 THR H . 51112 1 500 . 1 . 1 104 104 THR C C 13 174.535 0.015 . 1 . . 326 . . 193 THR C . 51112 1 501 . 1 . 1 104 104 THR CA C 13 62.066 0.011 . 1 . . 327 . . 193 THR CA . 51112 1 502 . 1 . 1 104 104 THR CB C 13 69.885 0.003 . 1 . . 328 . . 193 THR CB . 51112 1 503 . 1 . 1 104 104 THR CG2 C 13 21.574 . . 1 . . 546 . . 193 THR CG2 . 51112 1 504 . 1 . 1 104 104 THR N N 15 113.728 0.03 . 1 . . 36 . . 193 THR N . 51112 1 505 . 1 . 1 105 105 SER H H 1 8.21 0.002 . 1 . . 99 . . 194 SER H . 51112 1 506 . 1 . 1 105 105 SER C C 13 173.957 0.009 . 1 . . 325 . . 194 SER C . 51112 1 507 . 1 . 1 105 105 SER CA C 13 58.205 0.01 . 1 . . 324 . . 194 SER CA . 51112 1 508 . 1 . 1 105 105 SER CB C 13 63.895 0.045 . 1 . . 323 . . 194 SER CB . 51112 1 509 . 1 . 1 105 105 SER N N 15 117.612 0.028 . 1 . . 100 . . 194 SER N . 51112 1 510 . 1 . 1 106 106 TYR H H 1 8.199 0.002 . 1 . . 67 . . 195 TYR H . 51112 1 511 . 1 . 1 106 106 TYR C C 13 175.701 0.005 . 1 . . 438 . . 195 TYR C . 51112 1 512 . 1 . 1 106 106 TYR CA C 13 58.006 0.01 . 1 . . 437 . . 195 TYR CA . 51112 1 513 . 1 . 1 106 106 TYR CB C 13 38.922 0.014 . 1 . . 436 . . 195 TYR CB . 51112 1 514 . 1 . 1 106 106 TYR N N 15 122.304 0.022 . 1 . . 68 . . 195 TYR N . 51112 1 515 . 1 . 1 107 107 SER H H 1 8.15 0.002 . 1 . . 117 . . 196 SER H . 51112 1 516 . 1 . 1 107 107 SER C C 13 174.222 0.013 . 1 . . 492 . . 196 SER C . 51112 1 517 . 1 . 1 107 107 SER CA C 13 58.092 0.052 . 1 . . 493 . . 196 SER CA . 51112 1 518 . 1 . 1 107 107 SER CB C 13 63.931 0.05 . 1 . . 491 . . 196 SER CB . 51112 1 519 . 1 . 1 107 107 SER N N 15 117.457 0.004 . 1 . . 118 . . 196 SER N . 51112 1 520 . 1 . 1 108 108 SER H H 1 8.331 0.01 . 1 . . 195 . . 197 SER H . 51112 1 521 . 1 . 1 108 108 SER C C 13 174.654 0.008 . 1 . . 388 . . 197 SER C . 51112 1 522 . 1 . 1 108 108 SER CA C 13 58.518 0.013 . 1 . . 387 . . 197 SER CA . 51112 1 523 . 1 . 1 108 108 SER CB C 13 63.826 0.008 . 1 . . 386 . . 197 SER CB . 51112 1 524 . 1 . 1 108 108 SER N N 15 118.1 0.089 . 1 . . 196 . . 197 SER N . 51112 1 525 . 1 . 1 109 109 THR H H 1 8.175 0.002 . 1 . . 189 . . 198 THR H . 51112 1 526 . 1 . 1 109 109 THR C C 13 173.729 0.004 . 1 . . 384 . . 198 THR C . 51112 1 527 . 1 . 1 109 109 THR CA C 13 61.971 0.006 . 1 . . 385 . . 198 THR CA . 51112 1 528 . 1 . 1 109 109 THR CB C 13 69.82 0.021 . 1 . . 383 . . 198 THR CB . 51112 1 529 . 1 . 1 109 109 THR CG2 C 13 21.5 . . 1 . . 545 . . 198 THR CG2 . 51112 1 530 . 1 . 1 109 109 THR N N 15 115.706 0.014 . 1 . . 190 . . 198 THR N . 51112 1 531 . 1 . 1 110 110 GLN H H 1 7.958 0.002 . 1 . . 163 . . 199 GLN H . 51112 1 532 . 1 . 1 110 110 GLN C C 13 180.389 . . 1 . . 496 . . 199 GLN C . 51112 1 533 . 1 . 1 110 110 GLN CA C 13 57.443 . . 1 . . 494 . . 199 GLN CA . 51112 1 534 . 1 . 1 110 110 GLN CB C 13 30.435 . . 1 . . 495 . . 199 GLN CB . 51112 1 535 . 1 . 1 110 110 GLN N N 15 127.351 0.004 . 1 . . 164 . . 199 GLN N . 51112 1 stop_ save_